Chemical Properties of Ethyl orthoformate (CAS 122-51-0)

InChI

InChI=1S/C7H16O3/c1-4-8-7(9-5-2)10-6-3/h7H,4-6H2,1-3H3

InChI Key

GKASDNZWUGIAMG-UHFFFAOYSA-N

Formula

C7H16O3

SMILES

CCOC(OCC)OCC

Molecular Weight¹

148.20

CAS

122-51-0

Other Names

• Ethane, 1,1',1''-[methylidynetris(oxy)]tris-
• Orthoformic acid, triethyl ester
• Aethon
• Ethone
• Orthoformic acid ethyl ester
• Triethoxymethane
• Triethyl orthoformate
• Triethoxmethane
• Ethyl formate(ortho)
• Ethylester kyseliny orthomravenci
• Methane, triethoxy-
• Orthomravencan ethylnaty
• 1,1',1''-(Methylidynetris(oxy))tris(ethane)
• Triethylester kyseliny orthomravenci
• UN 2524
• Triethyl ester of orthoformic acid
• NSC 5289

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-4365.50; -4359.90]	kJ/mol
ΔcH°liquid	-4365.50 ± 0.80	kJ/mol	NIST
ΔcH°liquid	-4359.90 ± 2.90	kJ/mol	NIST
ΔfH°gas	[-641.80; -630.60]	kJ/mol
ΔfH°gas	-630.60	kJ/mol	NIST
ΔfH°gas	-641.80	kJ/mol	NIST
ΔfH°gas	-635.30 ± 3.80	kJ/mol	NIST
ΔfH°liquid	[-687.00; -675.80]	kJ/mol
ΔfH°liquid	-675.80 ± 0.80	kJ/mol	NIST
ΔfH°liquid	-687.00	kJ/mol	NIST
ΔfH°liquid	-681.30 ± 2.90	kJ/mol	NIST
ΔfusH°	13.93	kJ/mol	Joback Calculated Property
ΔvapH°	[45.20; 49.00]	kJ/mol
ΔvapH°	47.80 ± 0.10	kJ/mol	NIST
ΔvapH°	49.00 ± 2.00	kJ/mol	NIST
ΔvapH°	45.23	kJ/mol	NIST
ΔvapH°	45.20	kJ/mol	NIST
ΔvapH°	46.02 ± 0.84	kJ/mol	NIST
ΔvapH°	46.00	kJ/mol	NIST
ΔvapH°	46.00 ± 0.80	kJ/mol	NIST
IE	9.64	eV	Relay (1.0) Calculated Property
log10WS	-0.83		Relay (1.0) Calculated Property
logPoct/wat	1.380		Crippen Calculated Property
McVol	127.100	ml/mol	McGowan Calculated Property
Pc	2676.31	kPa	Joback Calculated Property
Inp	[884.70; 884.70]
Inp	884.70		NIST
Inp	884.70		NIST
Ip	1274.00		NIST
Tboil	[418.00; 419.20]	K
Tboil	419.20	K	NIST
Tboil	418.00 ± 1.00	K	NIST
Tboil	418.90 ± 0.30	K	NIST
Tboil	418.00 ± 2.50	K	NIST
Tboil	419.00 ± 2.00	K	NIST
Tc	557.38	K	Relay (1.0) Calculated Property
Tfus	197.10 ± 0.40	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[47.20; 49.00]	kJ/mol	[308.00; 348.50]
ΔvapH	49.00	kJ/mol	308.00	NIST
ΔvapH	47.20	kJ/mol	348.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[199.88; 436.50]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			7.13430e+01
Coefficient B			4.85160e-01
Coefficient C			-2.72000e-05
Coefficient D			-9.28000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.88	J/mol×K	273.00	Calculated Property
Cp,gas	235.47	J/mol×K	353.78	Calculated Property
Cp,gas	269.42	J/mol×K	434.56	Calculated Property
Cp,gas	301.44	J/mol×K	515.33	Calculated Property
Cp,gas	331.23	J/mol×K	596.11	Calculated Property
Cp,gas	358.50	J/mol×K	676.89	Calculated Property
Cp,gas	382.96	J/mol×K	757.67	Calculated Property
Cp,gas	404.30	J/mol×K	838.44	Calculated Property
Cp,gas	422.25	J/mol×K	919.22	Calculated Property
Cp,gas	436.50	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0070191; 0.0001782]	Pa×s	[197.10; 416.75]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19284e+01
Coefficient B			1.37365e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			197.10
Temperature range, max.			416.75
η	0.0070191	Pa×s	197.10	Calculated Property
η	0.0032568	Pa×s	221.51	Calculated Property
η	0.0017599	Pa×s	245.91	Calculated Property
η	0.0010628	Pa×s	270.32	Calculated Property
η	0.0006978	Pa×s	294.72	Calculated Property
η	0.0004886	Pa×s	319.13	Calculated Property
η	0.0003598	Pa×s	343.53	Calculated Property
η	0.0002760	Pa×s	367.94	Calculated Property
η	0.0002188	Pa×s	392.35	Calculated Property
η	0.0001782	Pa×s	416.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.13; 100.51]	kPa	[278.70; 419.00]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.57532e+01
Coefficient B			-4.19346e+03
Coefficient C			-4.26680e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			278.70
Temperature range, max.			419.00
Pvap	0.13	kPa	278.70	Calculated Property
Pvap	0.40	kPa	294.29	Calculated Property
Pvap	1.06	kPa	309.88	Calculated Property
Pvap	2.52	kPa	325.47	Calculated Property
Pvap	5.47	kPa	341.06	Calculated Property
Pvap	10.99	kPa	356.64	Calculated Property
Pvap	20.68	kPa	372.23	Calculated Property
Pvap	36.73	kPa	387.82	Calculated Property
Pvap	62.10	kPa	403.41	Calculated Property
Pvap	100.51	kPa	419.00	Calculated Property

Similar Compounds

Find more compounds similar to Ethyl orthoformate.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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